7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole

C16H20N2 — CID 117353788

IUPAC7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESc1cc2[nH]c3c(c2cc1CC1CCCN1)CCC3
InChIInChI=1S/C16H20N2/c1-4-13-14-10-11(9-12-3-2-8-17-12)6-7-16(14)18-15(13)5-1/h6-7,10,12,17-18H,1-5,8-9H2
InChIKeyPDDRSMXURMDSBY-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.95
Rot. Bonds2

About 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole

7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 117353788) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID117353788
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESc1cc2[nH]c3c(c2cc1CC1CCCN1)CCC3
InChIInChI=1S/C16H20N2/c1-4-13-14-10-11(9-12-3-2-8-17-12)6-7-16(14)18-15(13)5-1/h6-7,10,12,17-18H,1-5,8-9H2
InChIKeyPDDRSMXURMDSBY-UHFFFAOYSA-N
XLogP2.95
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 117353788) is 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is c1cc2[nH]c3c(c2cc1CC1CCCN1)CCC3.
What is the InChIKey of 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is PDDRSMXURMDSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-13-14-10-11(9-12-3-2-8-17-12)6-7-16(14)18-15(13)5-1/h6-7,10,12,17-18H,1-5,8-9H2.
What are the key properties of 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 240.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 117353788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).